computational chemistry

Ideas about how a world with more than three spatial dimensions would work - what laws of physics would be needed, how things would be built, how people would do things and so on.

computational chemistry

Postby alkaline » Mon Jan 05, 2004 5:53 pm

I think i found the route to calculating the chemistry of the fourth dimension. There are a number of software packages that calculate the various things about molecules using quantum mechanics, based on the Schrödinger equation and more general equations. Maybe if we can find the source code to one of these programs, we can adjust it for the fourth dimension and try some calculations. According to the Wikipedia, here are some software packages that do computational chemistry:

GAUSSIAN, GAMESS, Q-Chem, ACES, MOLPRO, DALTON, Spartan, and PSI

if you want to know more about quantum mechanics, check out the Wikipedia entry.
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